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CHEMDIV-ZINC00564359

 MMsINC code: MMs00855417
Type: Neutral
Formula: C17H15ClN2O3
SMILES:   Clc1ccc(cc1)C=1OC(N(N=1)C(=O)C)c1ccc(OC)cc1
InChI:   InChI=1/C17H15ClN2O3/c1-11(21)20-17(13-5-9-15(22-2)10-6-13)23-16(19-20)12-3-7-14(18)8-4-12/h3-10,17H,1-2H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=84.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.771 g/mol  logS: -4.62938  SlogP: 3.6832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142794  Sterimol/B1: 2.1787  Sterimol/B2: 3.27696  Sterimol/B3: 4.91613
  Sterimol/B4: 8.70434  Sterimol/L: 16.6756 
 
 Surface and Volume Properties
  Accessible surface: 573.427  Positive charged surface: 317.49  Negative charged surface: 255.937  Volume: 300
  Hydrophobic surface: 512.476  Hydrophilic surface: 60.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.